SCHEMBL7247155

SCHEMBL7247155

FC(F)(F)c1nc(NC(=S)c2cccc(Cl)c2)sc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.40
KMT2A Q03164 5/20 0.38
MAPT P10636 4/20 0.38
MEN1 O00255 4/20 0.38
ALDH1A1 P00352 3/20 0.38
HTT P42858 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
CETP P11597 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
CSNK1D P48730 1/20 0.36
GCK P35557 1/20 0.36
GRM5 P41594 1/20 0.36
RAB9A P51151 1/20 0.36
TP53 P04637 1/20 0.35
NPC1 O15118 1/20 0.35
GRM4 Q14833 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7239127 0.73 GRM5 (0.54) KMT2AMAPTMEN1ALDH1A1HTT
SCHEMBL10974846 0.65 IDO1 (0.59) KMT2AMAPTMEN1ALDH1A1HTT
SCHEMBL6680361 0.64 RAB9A (0.55) RIPK1KMT2AMAPTMEN1ALDH1A1
SCHEMBL10972973 0.64 KCNK3 (0.57) KMT2AMAPTMEN1ALDH1A1HTT
SCHEMBL7240767 0.62 MAPT (0.35) KMT2AMAPTMEN1ALDH1A1HTT
SCHEMBL7240764 0.62 MAPT (0.35) KMT2AMAPTMEN1ALDH1A1HTT
SCHEMBL14740718 0.62 IDO1 (0.53) MAPTALDH1A1HTT
SCHEMBL14756573 0.60 ALDH1A1 (0.50) MAPTALDH1A1SMN1; SMN2CYP2C19RAB9A
SCHEMBL10976386 0.58 NPC1 (0.65) KMT2AMAPTMEN1ALDH1A1HTT
SCHEMBL4920234 0.58 SCD (0.73) KMT2AMEN1HTTSMN1; SMN2CSNK1D

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6617341-B1 Insecticidal and acaricidal activity, used in in agriculture and horticulture NIPPON SODA CO. LTD. (JP) 2003-09-09 US disclosed